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Benzothiophenes
Description:
Organic compounds containing a benzene fused to a thiepine ring (a five-membered ring with six carbon atoms and one sulfur atom).
Ancestors:
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2-(Chloromethyl)benzo[b]thiopheneCas Number: 2076-88-2 Compound CID: 12813837Formula: C9H7ClS Molecular Weight: 182.67IUPAC Name: 2-(chloromethyl)-1-benzothiopheneSMILES: C1=CC=C2C(=C1)C=C(S2)CClInChIKey: JHDSVVPTMIYVGV-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2 -
1-benzothien-7-ylmethanolCas Number: 51830-53-6 Compound CID: 16640611Formula: C9H8OS Molecular Weight: 164.23IUPAC Name: 1-benzothiophen-7-ylmethanolSMILES: C1=CC2=C(C(=C1)CO)SC=C2InChIKey: AQJJFNFAYMLSNA-UHFFFAOYSA-NInChI: InChI=1S/C9H8OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
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1-benzothiophene-7-carboxylicacidCas Number: 10134-98-2 Compound CID: 14235073Formula: C9H6O2S Molecular Weight: 178.21IUPAC Name: 1-benzothiophene-7-carboxylic acidSMILES: C1=CC2=C(C(=C1)C(=O)O)SC=C2InChIKey: LJPSRTWIAXVPIS-UHFFFAOYSA-NInChI: InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
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(5-Bromobenzo[b]thiophen-3-yl)methanamineCas Number: 744985-64-6 Compound CID: 44118203Formula: C9H9BrClNS Molecular Weight: 278.6IUPAC Name: (5-bromo-1-benzothiophen-3-yl)methanamine;hydrochlorideSMILES: C1=CC2=C(C=C1Br)C(=CS2)CN.ClInChIKey: FNRMMKSEZJLOTG-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H
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methyl 4-fluoro-1-benzothiophene-2-carboxylateCas Number: 220180-55-2 Compound CID: 2783209Formula: C10H7FO2S Molecular Weight: 210.23IUPAC Name: methyl 4-fluoro-1-benzothiophene-2-carboxylateSMILES: COC(=O)C1=CC2=C(C=CC=C2S1)FInChIKey: SPZLAMSTAIFDBN-UHFFFAOYSA-NInChI: InChI=1S/C10H7FO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
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Ethyl 3-amino-4-chlorobenzo[b]thiophene-2-carboxylateCas Number: 67189-92-8 Compound CID: 729276Formula: C11H10ClNO2S Molecular Weight: 255.72IUPAC Name: ethyl 3-amino-4-chloro-1-benzothiophene-2-carboxylateSMILES: CCOC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NInChIKey: YGLSXTDCHUONFR-UHFFFAOYSA-NInChI: InChI=1S/C11H10ClNO2S/c1-2-15-11(14)10-9(13)8-6(12)4-3-5-7(8)16-10/h3-5H,2,13H2,1H3
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Benzo[b]thiophene-3-carbonyl chlorideCas Number: 39827-12-8 Compound CID: 2776338Formula: C9H5ClOS Molecular Weight: 196.66IUPAC Name: 1-benzothiophene-3-carbonyl chlorideSMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)ClInChIKey: GSMXWLPUJAYDHX-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClOS/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
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Benzo[b]thiophen-6-olCas Number: 19301-39-4 Compound CID: 88004Formula: C8H6OS Molecular Weight: 150.2IUPAC Name: 1-benzothiophen-6-olSMILES: C1=CC(=CC2=C1C=CS2)OInChIKey: DQUZFPKUMCZPQD-UHFFFAOYSA-NInChI: InChI=1S/C8H6OS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
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Benzo[b]thiophene-2-carboxamideCas Number: 6314-42-7 Compound CID: 237073Formula: C9H7NOS Molecular Weight: 177.23IUPAC Name: 1-benzothiophene-2-carboxamideSMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)NInChIKey: GYSCBCSGKXNZRH-UHFFFAOYSA-NInChI: InChI=1S/C9H7NOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)
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Benzo[b]thiophene-5-carbaldehydeCas Number: 10133-30-9 Compound CID: 139097Formula: C9H6OS Molecular Weight: 162.21IUPAC Name: 1-benzothiophene-5-carbaldehydeSMILES: C1=CC2=C(C=CS2)C=C1C=OInChIKey: QHHRWAPVYHRAJA-UHFFFAOYSA-NInChI: InChI=1S/C9H6OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
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Benzo[b]thiophen-4-olCas Number: 3610-02-4 Compound CID: 19217Formula: C8H6OS Molecular Weight: 150.20IUPAC Name: 1-benzothiophen-4-olSMILES: C1=CC(=C2C=CSC2=C1)OInChIKey: BMRZGYNNZTVECK-UHFFFAOYSA-NInChI: InChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9HSynonyms: 4-Hydroxy-1- benzothiophene | 4-Hydroxy-1-thiaindene | 4-Hydroxybenzo[b]thiophene | 4-Hydroxybenzothiophene
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Benzo[b]thiophen-6-amineCas Number: 5339-33-3Formula: C8H7NS Molecular Weight: 149.21IUPAC Name: 1-benzothiophen-6-amineSMILES: C1=CC(=CC2=C1C=CS2)NInChIKey: CHKYKCBEIFLRRR-UHFFFAOYSA-NInChI: InChI=1S/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H,9H2Synonyms: 1-benzothiophen-6-amine | 6-aminobenzo[b]thiophene
